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Ezetimibe Impurity 18

CAT: 1596-AR-E11023-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-E11023-05Size:150
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CAS Number
204589-80-0
Synonyms
Methyl 3- ((2S,3R) -2- (4- (benzyloxy) phenyl) -1- (4-fluorophenyl) -4-oxoazetidin-3-yl) propanoate
Molecular Formula
C26H24FNO4
Molecular Weight
433.48
API Name
Ezetimibe

Chemical Information

Methyl 3-((2S,3R)-2-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl)propanoate
CAS Number204589-80-0
PubChem CID10502916
IUPAC Namemethyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate
Molecular FormulaC26H24FNO4
Molecular Weight433.5
XLogP4.3
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity621
SMILES
COC(=O)CC[C@@H]1[C@H](N(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C26H24FNO4/c1-31-24(29)16-15-23-25(28(26(23)30)21-11-9-20(27)10-12-21)19-7-13-22(14-8-19)32-17-18-5-3-2-4-6-18/h2-14,23,25H,15-17H2,1H3/t23-,25-/m1/s1
InChIKey
KYSALESRYJDXBT-ILBGXUMGSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-((2S,3R)-2-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl)propanoate
CAS: 204589-80-0
CID: 10502916
Formula: C26H24FNO4
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass433.16893641
Monoisotopic Mass433.16893641
Topological Polar Surface Area55.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity621
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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